相关论文: Boundary conditions for the electronic structure o…

Outer boundary conditions for strongly and symmetric hyperbolic formulations of 3D Einstein's field equations with a live gauge condition are discussed. The boundary conditions have the property that they ensure constraint propagation and…

A new homogenization-free boundary condition is introduced for the design of metasurfaces. The boundary condition, linking the tangential electric field to the induced surface current density within a unit cell, is described as a matrix…

In a model of a gate-patterned quantum device it is important to choose the correct electrostatic boundary conditions (BCs) in order to match experiment. In this study, we model gated-patterned devices in doped and undoped GaAs…

We present a set of new energy-stable open boundary conditions for tackling the backflow instability in simulations of outflow/open boundary problems for incompressible flows. These boundary conditions are developed through two steps: (i)…

Finite pieces of locally isostatic networks have a large number of floppy modes because of missing constraints at the surface. Here we show that by imposing suitable boundary conditions at the surface, the network can be rendered…

Reconstructing a density of states or similar distribution from moments or continued fractions is an important problem in calculating the electronic and vibrational structure of defective or non-crystalline solids. For single bands a…

This work is devoted to the structure of the time-discrete Green-Naghdi equations including bathymetry. We use the projection structure of the equations to characterize homogeneous and inhomogeneous boundary conditions for which the…

In recent decades, considerable research has been devoted to partial differential equations (PDEs) with dynamic boundary conditions. However, the physical interpretation of the parameters involved often remains unclear, which in turn limits…

A study of previously overlooked structural and optical properties of InGaAs heterostructures grown on (111)B oriented GaAs substrates patterned with inverted 7.5 um pitch pyramidal recesses is presented. First, the composition of the…

Modeling the chemical, electric, and thermal transport as well as phase transitions and the accompanying mesoscale microstructure evolution within a material in an electronic device setting involves the solution of partial differential…

We analyze exact ground-state energies of two-dimensional Ising spin glasses with either Gaussian or bimodal nearest-neighbor interactions for large system sizes and for three types of boundary conditions: free on both axes, periodic on…

Designing molecular organic semiconductors with distinct frontier orbitals is key for the development of devices with desirable properties. Generating defined organic nanostructures with atomic precision can be accomplished by on-surface…

In this paper we present a detailed analysis of the atomic and electronic structure of GaAs nanowires using first-principles pseudopotential calculations. We consider six different types of nanowires with different diameters all grown along…

In this paper, we investigate the open tight-binding model with $N$ sites coupled to two reservoirs on its edges with the nonequilibrium Green function method to understand effects of open boundaries. As a result, we obtain an analytical…

A parabolic free boundary problem modeling a three-dimensional electrostatic MEMS device is investigated. The device is made of a rigid ground plate and an elastic top plate which is hinged at its boundary, the plates being held at…

We consider the electronic transport in bounded semiconductors in the presence of an external magnetic field. Taking into account appropriate boundary conditions for the current density at the contacts, a change in the magnetoresistance of…

It is known that the overlap of two energy eigenstates in a decaying quantum system is bounded from above by a function of the energy detuning and the individual decay rates. This is usually traced back to the positive definiteness of an…

Atomic-scale helices exist as motifs for several material lattices. We examine a tight-binding model for a single one-dimensional monatomic chain with a p-orbital basis coiled into a helix. A topologically nontrivial phase emerging from…

The standard boundary state of a topological insulator in 3+1 dimensions has gapless charged fermions. We present model systems that reproduce this standard gapless boundary state in one phase, but also have gapped phases with topological…

It is shown that the universal behavior of the spacing distribution of nearest energy levels at the metal--insulator Anderson transition is indeed dependent on the boundary conditions. The spectral rigidity $\Sigma^2(E)$ also depends on the…